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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:55 UTC

Update Date

2021-09-14 15:29:57 UTC

HMDB ID

HMDB0028899

Secondary Accession Numbers

HMDB28899

Metabolite Identification

Common Name

Histidinyl-Gamma-glutamate

Description

Histidinyl-Gamma-glutamate is a dipeptide composed of histidine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0028899
     RDKit          3D
Histidinyl-Gamma-glutamate
 37 37  0  0  0  0  0  0  0  0999 V2000
    3.7978    1.1471    0.9463 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4447    0.0439    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -0.3910   -0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3767   -0.8627   -0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    0.1617   -0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    1.3666   -0.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0598   -0.1998   -0.0950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933    0.7630    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415    1.9815    0.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    0.4500    0.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421    1.5933    1.0615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164   -0.3607   -0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3856   -0.6077    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7836   -1.6813    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0912   -1.5936    1.2551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5272   -0.4645    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5018    0.1261    0.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8509    0.3872   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3054    1.5046    0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6266   -0.5462   -0.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427    0.9912    1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    2.0729    0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553   -0.8540    1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069   -1.1875   -1.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    0.4911   -1.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173   -1.7135   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790   -1.3243   -1.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2018   -1.1938   -0.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -0.2057    1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5734    2.2506    1.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3794    2.0664    0.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5488   -1.3539   -0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0980    0.1902   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362   -2.5058    1.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5465   -0.0700    0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5244    1.0174   -0.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6697   -1.4888   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
 10 29  1  0
 11 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 16 35  1  0
 17 36  1  0
 20 37  1  0
M  END

  Mrv1652304062013502D          

 20 20  0  0  0  0            999 V2000
    6.0409    0.1979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   -1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -0.6271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540    0.1979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3251   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4286   -0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806   -0.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389    0.1934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7553   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4698   -0.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7553   -1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028899

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H17N5O4/c12-7(11(19)20)1-2-9(17)16-10(18)8(13)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12-13H2,(H,14,15)(H,19,20)(H,16,17,18)

> <INCHI_KEY>
PFZUBGMULASFDW-UHFFFAOYSA-N

> <FORMULA>
C11H17N5O4

> <MOLECULAR_WEIGHT>
283.2838

> <EXACT_MASS>
283.128054057

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
27.73516540937054

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-5-[2-amino-3-(1H-imidazol-5-yl)propanamido]-5-oxopentanoic acid

> <ALOGPS_LOGP>
-2.79

> <JCHEM_LOGP>
-5.154872534119894

> <ALOGPS_LOGS>
-1.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.600345322749984

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.023605293489854

> <JCHEM_PKA_STRONGEST_BASIC>
9.410495990925886

> <JCHEM_POLAR_SURFACE_AREA>
164.18999999999997

> <JCHEM_REFRACTIVITY>
68.09109999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-5-[2-amino-3-(3H-imidazol-4-yl)propanamido]-5-oxopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028899
     RDKit          3D
Histidinyl-Gamma-glutamate
 37 37  0  0  0  0  0  0  0  0999 V2000
    3.7978    1.1471    0.9463 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4447    0.0439    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -0.3910   -0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3767   -0.8627   -0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    0.1617   -0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    1.3666   -0.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0598   -0.1998   -0.0950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933    0.7630    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415    1.9815    0.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    0.4500    0.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421    1.5933    1.0615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164   -0.3607   -0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3856   -0.6077    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7836   -1.6813    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0912   -1.5936    1.2551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5272   -0.4645    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5018    0.1261    0.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8509    0.3872   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3054    1.5046    0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6266   -0.5462   -0.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427    0.9912    1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    2.0729    0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553   -0.8540    1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069   -1.1875   -1.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    0.4911   -1.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173   -1.7135   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790   -1.3243   -1.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2018   -1.1938   -0.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -0.2057    1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5734    2.2506    1.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3794    2.0664    0.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5488   -1.3539   -0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0980    0.1902   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362   -2.5058    1.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5465   -0.0700    0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5244    1.0174   -0.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6697   -1.4888   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
 10 29  1  0
 11 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 16 35  1  0
 17 36  1  0
 20 37  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  N   UNK     0      11.276   0.369   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      11.276  -1.171   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.943  -1.941   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.609  -1.171   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.275  -1.941   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       7.275  -3.481   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0       5.942  -1.171   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       4.608  -1.941   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.608  -3.481   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.274  -1.171   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       3.274   0.369   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       1.941  -1.941   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.607  -1.171   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.800  -1.797   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      -1.830  -0.652   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -1.060   0.681   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       0.446   0.361   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      12.610  -1.941   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      13.944  -1.171   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      12.610  -3.481   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   13                                                       
CONECT   18    2   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0028899
HETATM    1  N1  UNL     1       3.798   1.147   0.946  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.445   0.044   0.288  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.783  -0.391  -0.971  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.377  -0.863  -0.885  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.400   0.162  -0.474  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.755   1.367  -0.457  1.00  0.00           O  
HETATM    7  N2  UNL     1       0.060  -0.200  -0.095  1.00  0.00           N  
HETATM    8  C5  UNL     1      -0.893   0.763   0.304  1.00  0.00           C  
HETATM    9  O2  UNL     1      -0.541   1.982   0.323  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.268   0.450   0.700  1.00  0.00           C  
HETATM   11  N3  UNL     1      -3.042   1.593   1.061  1.00  0.00           N  
HETATM   12  C7  UNL     1      -3.016  -0.361  -0.329  1.00  0.00           C  
HETATM   13  C8  UNL     1      -4.386  -0.608   0.190  1.00  0.00           C  
HETATM   14  C9  UNL     1      -4.784  -1.681   0.958  1.00  0.00           C  
HETATM   15  N4  UNL     1      -6.091  -1.594   1.255  1.00  0.00           N  
HETATM   16  C10 UNL     1      -6.527  -0.464   0.677  1.00  0.00           C  
HETATM   17  N5  UNL     1      -5.502   0.126   0.038  1.00  0.00           N  
HETATM   18  C11 UNL     1       5.851   0.387  -0.061  1.00  0.00           C  
HETATM   19  O3  UNL     1       6.305   1.505   0.222  1.00  0.00           O  
HETATM   20  O4  UNL     1       6.627  -0.546  -0.697  1.00  0.00           O  
HETATM   21  H1  UNL     1       3.843   0.991   1.980  1.00  0.00           H  
HETATM   22  H2  UNL     1       4.225   2.073   0.714  1.00  0.00           H  
HETATM   23  H3  UNL     1       4.455  -0.854   1.003  1.00  0.00           H  
HETATM   24  H4  UNL     1       4.407  -1.187  -1.485  1.00  0.00           H  
HETATM   25  H5  UNL     1       3.865   0.491  -1.684  1.00  0.00           H  
HETATM   26  H6  UNL     1       2.317  -1.714  -0.157  1.00  0.00           H  
HETATM   27  H7  UNL     1       2.079  -1.324  -1.866  1.00  0.00           H  
HETATM   28  H8  UNL     1      -0.202  -1.194  -0.119  1.00  0.00           H  
HETATM   29  H9  UNL     1      -2.201  -0.206   1.617  1.00  0.00           H  
HETATM   30  H10 UNL     1      -2.573   2.251   1.699  1.00  0.00           H  
HETATM   31  H11 UNL     1      -3.379   2.066   0.186  1.00  0.00           H  
HETATM   32  H12 UNL     1      -2.549  -1.354  -0.504  1.00  0.00           H  
HETATM   33  H13 UNL     1      -3.098   0.190  -1.299  1.00  0.00           H  
HETATM   34  H14 UNL     1      -4.136  -2.506   1.292  1.00  0.00           H  
HETATM   35  H15 UNL     1      -7.546  -0.070   0.708  1.00  0.00           H  
HETATM   36  H16 UNL     1      -5.524   1.017  -0.504  1.00  0.00           H  
HETATM   37  H17 UNL     1       6.670  -1.489  -0.321  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3   18   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6    6    7
CONECT    7    8   28
CONECT    8    9    9   10
CONECT   10   11   12   29
CONECT   11   30   31
CONECT   12   13   32   33
CONECT   13   14   14   17
CONECT   14   15   34
CONECT   15   16   16
CONECT   16   17   35
CONECT   17   36
CONECT   18   19   19   20
CONECT   20   37
END

HMDB0028899
     RDKit          3D
Histidinyl-Gamma-glutamate
 37 37  0  0  0  0  0  0  0  0999 V2000
    3.7978    1.1471    0.9463 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4447    0.0439    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -0.3910   -0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3767   -0.8627   -0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    0.1617   -0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    1.3666   -0.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0598   -0.1998   -0.0950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933    0.7630    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415    1.9815    0.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    0.4500    0.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421    1.5933    1.0615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164   -0.3607   -0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3856   -0.6077    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7836   -1.6813    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0912   -1.5936    1.2551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5272   -0.4645    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5018    0.1261    0.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8509    0.3872   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3054    1.5046    0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6266   -0.5462   -0.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427    0.9912    1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    2.0729    0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553   -0.8540    1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069   -1.1875   -1.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    0.4911   -1.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173   -1.7135   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790   -1.3243   -1.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2018   -1.1938   -0.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -0.2057    1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5734    2.2506    1.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3794    2.0664    0.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5488   -1.3539   -0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0980    0.1902   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362   -2.5058    1.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5465   -0.0700    0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5244    1.0174   -0.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6697   -1.4888   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
 10 29  1  0
 11 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 16 35  1  0
 17 36  1  0
 20 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Histidinyl-g-glutamate	Generator
Histidinyl-g-glutamic acid	Generator
Histidinyl-gamma-glutamic acid	Generator
Histidinyl-γ-glutamate	Generator
Histidinyl-γ-glutamic acid	Generator
H-GE dipeptide	HMDB
HGE dipeptide	HMDB
His-gglu	HMDB
Histidine gamma-glutamate dipeptide	HMDB
Histidine-gamma-glutamate dipeptide	HMDB
Histidinylgamma-glutamate	HMDB
L-Histidinyl-L-gamma-glutamate	HMDB
2-Amino-4-{[2-amino-3-(1H-imidazol-5-yl)propanoyl]-C-hydroxycarbonimidoyl}butanoate	HMDB

Chemical Formula

C₁₁H₁₇N₅O₄

Average Molecular Weight

283.2838

Monoisotopic Molecular Weight

283.128054057

IUPAC Name

2-amino-5-[2-amino-3-(1H-imidazol-5-yl)propanamido]-5-oxopentanoic acid

Traditional Name

2-amino-5-[2-amino-3-(3H-imidazol-4-yl)propanamido]-5-oxopentanoic acid

CAS Registry Number

Not Available

SMILES

NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C11H17N5O4/c12-7(11(19)20)1-2-9(17)16-10(18)8(13)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12-13H2,(H,14,15)(H,19,20)(H,16,17,18)

InChI Key

PFZUBGMULASFDW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Histidine and derivatives

Alternative Parents

Substituents

Histidine or derivatives
Glutamine or derivatives
Alpha-amino acid amide
Alpha-amino acid
Imidazolyl carboxylic acid derivative
Aralkylamine
N-acyl-amine
Azole
Carboxylic acid imide, n-unsubstituted
Carboxylic acid imide
Imidazole
Dicarboximide
Heteroaromatic compound
Amino acid
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-5.26	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	6.02 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-5.2	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	2.02	ChemAxon
pKa (Strongest Basic)	9.41	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	164.19 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	68.09 m³·mol⁻¹	ChemAxon
Polarizability	27.74 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	166.604	31661259
DarkChem	[M-H]-	161.239	31661259
DeepCCS	[M+H]+	163.2	30932474
DeepCCS	[M-H]-	160.842	30932474
DeepCCS	[M-2H]-	193.728	30932474
DeepCCS	[M+Na]+	169.294	30932474
AllCCS	[M+H]+	162.0	32859911
AllCCS	[M+H-H2O]+	158.9	32859911
AllCCS	[M+NH4]+	164.8	32859911
AllCCS	[M+Na]+	165.6	32859911
AllCCS	[M-H]-	164.9	32859911
AllCCS	[M+Na-2H]-	164.9	32859911
AllCCS	[M+HCOO]-	164.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Histidinyl-Gamma-glutamate	NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1)C(O)=O	3528.2	Standard polar	33892256
Histidinyl-Gamma-glutamate	NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1)C(O)=O	2364.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate	NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1)C(O)=O	3186.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Histidinyl-Gamma-glutamate,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1	2905.2	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,1TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O	2982.3	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,1TMS,isomer #3	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O	2956.4	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,1TMS,isomer #4	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC1=CN=C[NH]1	2845.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,1TMS,isomer #5	C[Si](C)(C)N1C=NC=C1CC(N)C(=O)NC(=O)CCC(N)C(=O)O	2970.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2942.2	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2603.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #10	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	2998.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #10	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	2761.6	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #11	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2882.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #11	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2726.6	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC1=CN=CN1[Si](C)(C)C	2890.3	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC1=CN=CN1[Si](C)(C)C	2737.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #2	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2952.2	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #2	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2664.5	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C	2805.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C	2638.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C	2948.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C	2655.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O	3006.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O	2726.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #6	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	3060.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #6	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2764.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C)C(=O)O	2894.2	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C)C(=O)O	2704.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #8	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O	3025.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #8	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O	2718.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #9	C[Si](C)(C)N(C(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	3000.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TMS,isomer #9	C[Si](C)(C)N(C(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	2823.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #1	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2980.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #1	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2697.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2902.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2770.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #11	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	3050.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #11	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2794.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3029.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2842.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #13	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC1=CN=C[NH]1	2939.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #13	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC1=CN=C[NH]1	2824.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #14	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3132.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #14	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2844.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #15	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2928.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #15	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2791.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #16	C[Si](C)(C)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	3067.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #16	C[Si](C)(C)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	2904.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2911.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2849.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #18	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2904.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #18	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2828.6	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	3042.3	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2711.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2826.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2674.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2981.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2697.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2984.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2801.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2986.2	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2747.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #7	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2824.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #7	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2711.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C)[Si](C)(C)C	2828.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C)[Si](C)(C)C	2720.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #9	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3072.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TMS,isomer #9	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2828.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2988.3	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2812.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2853.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2818.5	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #11	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3112.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #11	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2940.5	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #12	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3144.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #12	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2913.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #13	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2948.3	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #13	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2881.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2932.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2865.6	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #15	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2928.3	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #15	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2874.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3118.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2925.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #17	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC1=CN=CN1[Si](C)(C)C	3025.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #17	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC1=CN=CN1[Si](C)(C)C	2920.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #18	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3000.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #18	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2967.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3006.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2785.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2829.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2757.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #4	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3038.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #4	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2791.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2929.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2791.6	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3103.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2827.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2849.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2786.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2887.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2836.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3068.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2889.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3108.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2898.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #10	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3255.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #10	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3041.6	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #11	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3040.2	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #11	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2989.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3032.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2992.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2895.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2868.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3081.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2917.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2878.4	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2872.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #5	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3095.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #5	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2889.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #6	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2951.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #6	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2856.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3007.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2904.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2972.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2951.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #9	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	3066.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TMS,isomer #9	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2989.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3091.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2967.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3238.4	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3019.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3010.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2999.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #4	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3034.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #4	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2985.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #5	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3216.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,6TMS,isomer #5	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3112.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3242.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3107.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1	3160.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O	3218.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O	3191.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC1=CN=C[NH]1	3075.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C=NC=C1CC(N)C(=O)NC(=O)CCC(N)C(=O)O	3244.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3413.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3014.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	3486.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	3164.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3309.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3118.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C	3362.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C	3137.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3390.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3086.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C(C)(C)C	3246.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C(C)(C)C	3049.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C	3489.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C	3085.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O	3449.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O	3108.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3492.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3125.5	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C(C)(C)C)C(=O)O	3310.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C(C)(C)C)C(=O)O	3094.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3538.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3124.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3428.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3187.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3633.4	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3233.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3544.2	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3284.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3743.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3351.5	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3683.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3346.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC1=CN=C[NH]1	3566.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC1=CN=C[NH]1	3301.6	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3830.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3366.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3599.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3330.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3766.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3425.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3551.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3372.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3585.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3377.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3685.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3254.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3464.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3209.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3684.4	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3272.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3643.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3309.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3672.3	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3316.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3474.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3254.6	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3532.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3278.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3697.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3327.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3859.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3446.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3724.4	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3507.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3952.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3531.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4008.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3559.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3772.4	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3487.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3794.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3538.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3768.5	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3514.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4001.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3588.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C	3891.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C	3541.7	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3878.2	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3625.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3869.3	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3475.6	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3644.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3402.4	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3893.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3435.0	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3751.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC1=CN=C[NH]1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3424.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3992.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3509.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3728.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3464.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3723.0	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3483.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3949.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3548.5	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4152.9	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3641.1	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4297.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3783.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4073.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3748.5	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4085.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3777.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3911.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3624.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4140.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3707.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3881.8	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3666.8	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4157.6	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3688.2	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3939.2	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3608.9	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4061.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3687.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4032.7	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3746.3	Standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4086.1	Semi standard non polar	33892256
Histidinyl-Gamma-glutamate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3711.9	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Histidinyl-Gamma-glutamate GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-7930000000-eee0997ac9192386ad8e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Histidinyl-Gamma-glutamate GC-MS (1 TMS) - 70eV, Positive	splash10-03di-4901000000-8b067c42f611d59124a5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Histidinyl-Gamma-glutamate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 10V, Positive-QTOF	splash10-02a9-0970000000-fe1a93097d4ba14d2505	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 20V, Positive-QTOF	splash10-0ikl-3920000000-795a078dbd2f787ccb7d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 40V, Positive-QTOF	splash10-01q9-9400000000-ead23808ff02c8811827	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 10V, Negative-QTOF	splash10-001i-0290000000-573aafefd99caef9ed95	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 20V, Negative-QTOF	splash10-0udj-3960000000-98c0bed70f9933801148	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 40V, Negative-QTOF	splash10-000f-8900000000-58156d0d11df74b24f25	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 10V, Negative-QTOF	splash10-01q9-0190000000-1da9ddc98f9807be9a15	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 20V, Negative-QTOF	splash10-001i-5920000000-6037e3b983008bd9b1fd	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 40V, Negative-QTOF	splash10-0006-9200000000-9de30d06205f809980a7	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 10V, Positive-QTOF	splash10-001i-0590000000-1ddbc20e98b5696348ba	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 20V, Positive-QTOF	splash10-01w0-1940000000-f2509ea3f242043d6c45	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Gamma-glutamate 40V, Positive-QTOF	splash10-08gi-9500000000-eb3b2b257e46b7e83877	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111928

KNApSAcK ID

Not Available

Chemspider ID

35032814

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750770

PDB ID

Not Available

ChEBI ID

169018

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Histidinyl-Gamma-glutamate (HMDB0028899)

MOL for HMDB0028899 (Histidinyl-Gamma-glutamate)

3D MOL for HMDB0028899 (Histidinyl-Gamma-glutamate)

3D SDF for HMDB0028899 (Histidinyl-Gamma-glutamate)

3D-SDF for HMDB0028899 (Histidinyl-Gamma-glutamate)

PDB for HMDB0028899 (Histidinyl-Gamma-glutamate)

3D PDB for HMDB0028899 (Histidinyl-Gamma-glutamate)

SMILES for HMDB0028899 (Histidinyl-Gamma-glutamate)

INCHI for HMDB0028899 (Histidinyl-Gamma-glutamate)

Structure for HMDB0028899 (Histidinyl-Gamma-glutamate)

3D Structure for HMDB0028899 (Histidinyl-Gamma-glutamate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra